| SpectraBase Compound ID | 56k2WE4ZRS3 |
|---|---|
| InChI | InChI=1S/C14H9ClO3/c15-12-7-5-10(6-8-12)14(17)18-13-4-2-1-3-11(13)9-16/h1-9H |
| InChIKey | FHXVHXPMRCXUIL-UHFFFAOYSA-N |
| Mol Weight | 260.68 g/mol |
| Molecular Formula | C14H9ClO3 |
| Exact Mass | 260.024022 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AwljP5IcuX5 |
|---|---|
| Name | Benzoic acid, 4-chloro-, 2-formylphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.024021847 u |
| Formula | C14H9ClO3 |
| InChI | InChI=1S/C14H9ClO3/c15-12-7-5-10(6-8-12)14(17)18-13-4-2-1-3-11(13)9-16/h1-9H |
| InChIKey | FHXVHXPMRCXUIL-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(OC=1C(C=O)=CC=CC1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862741 |